| SpectraBase Spectrum ID |
KKXvU1YMBQ1 |
| Name |
methyl 2-(3-methoxy-3-oxo-propyl)-6-methyl-benzoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| GC Column |
HP-5 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C13H16O4/c1-9-5-4-6-10(7-8-11(14)16-2)12(9)13(15)17-3/h4-6H,7-8H2,1-3H3 |
| InChIKey |
HAYPPFFPVWFPKQ-UHFFFAOYSA-N |
| Instrument Name |
Agilent GC-MS 5977B MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201800757 |
| Molecular Weight |
236.267 g/mol |
| Quality |
10 |
| Reported Formula |
C13H16O4 |
| SMILES |
COC(C1=C(C=CC=C1C)CCC(=O)OC)=O |
| SPLASH |
splash10-0002-0900000000-903d3fb4f28bb1a0b59e |
| Source of Spectrum |
QE-24-SM22-3am (DOI: 10.1002/chem.201800757) |
| Wiley ID |
1900139 |
